1-ethyl-3,4-dimethylcycloocta-1,4-diene

C12H20 — CID 123921718

IUPAC1-ethyl-3,4-dimethylcycloocta-1,4-diene
SMILESCCC1=CC(C)C(C)=CCCC1
InChIInChI=1S/C12H20/c1-4-12-8-6-5-7-10(2)11(3)9-12/h7,9,11H,4-6,8H2,1-3H3
InChIKeySAPSPMBPNQKFKN-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds1

About 1-ethyl-3,4-dimethylcycloocta-1,4-diene

1-ethyl-3,4-dimethylcycloocta-1,4-diene (PubChem CID 123921718) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-ethyl-3,4-dimethylcycloocta-1,4-diene.

Molecular Properties

Compound Name1-ethyl-3,4-dimethylcycloocta-1,4-diene
PubChem CID123921718
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-ethyl-3,4-dimethylcycloocta-1,4-diene
SMILESCCC1=CC(C)C(C)=CCCC1
InChIInChI=1S/C12H20/c1-4-12-8-6-5-7-10(2)11(3)9-12/h7,9,11H,4-6,8H2,1-3H3
InChIKeySAPSPMBPNQKFKN-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-3-ethylcyclohex-2-en-1-ol
CID 11252010
1-ethyl-3-methylcyclopentene;methane
CID 161172623
1-(methylsulfanylmethyl)cyclopentene
CID 54104763
2-(3-ethylcyclohex-2-en-1-yl)acetaldehyde
CID 59679582
1,7-dimethylcycloheptene
CID 13493194
(1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene
CID 178125074
1,6,7-trimethylcycloheptene
CID 91039124
1-ethyl-3-methylcyclohexa-1,3-diene
CID 18512584
6-[(2,6-dichloro-4-methylphenyl)methylidene]-1-ethylcyclononene
CID 123926884
cyclopenten-1-ylmethylsilane
CID 172697328
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-tert-butylcyclopentene
CID 13414410

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-dimethylcycloocta-1,4-diene?
The IUPAC name of 1-ethyl-3,4-dimethylcycloocta-1,4-diene (CID 123921718) is 1-ethyl-3,4-dimethylcycloocta-1,4-diene.
What is the SMILES notation for 1-ethyl-3,4-dimethylcycloocta-1,4-diene?
The canonical SMILES for 1-ethyl-3,4-dimethylcycloocta-1,4-diene is CCC1=CC(C)C(C)=CCCC1.
What is the InChIKey of 1-ethyl-3,4-dimethylcycloocta-1,4-diene?
The InChIKey is SAPSPMBPNQKFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-12-8-6-5-7-10(2)11(3)9-12/h7,9,11H,4-6,8H2,1-3H3.
What are the key properties of 1-ethyl-3,4-dimethylcycloocta-1,4-diene?
1-ethyl-3,4-dimethylcycloocta-1,4-diene has a molecular weight of 164.29 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4-dimethylcycloocta-1,4-diene is sourced from PubChem (CID 123921718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).